ethanedioic acid; 1-(4-fluorophenyl)-4-[4-(2-phenylsulfanylphenyl)-4-propanoyl-piperidin-1-yl]butan-1-one

Systemtic Name: ethanedioic acid; 1-(4-fluorophenyl)-4-[4-(2-phenylsulfanylphenyl)-4-propanoyl-piperidin-1-yl]butan-1-one Openeye Name: 1-(4-fluorophenyl)-4-[4-(2-phenylsulfanylphenyl)-4-propanoyl-1-piperidyl]butan-1-one; oxalic acid CAS Name: 1-(4-fluorophenyl)-4-[4-(1-oxopropyl)-4-[2-(phenylthio)phenyl]-1-piperidinyl]-1-butanone; oxalic acid IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-phenylsulfanylphenyl)-4-propanoylpiperidin-1-yl]butan-1-one; oxalic acid Traditional Name: 1-(4-fluorophenyl)-4-[4-[2-(phenylthio)phenyl]-4-propionyl-piperidino]butan-1-one; oxalic acid Formula: C32H34FNO6S MolecularWeight: 579.678863

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3SC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3SC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H32FNO2S.C2H2O4/c1-2-29(34)30(26-11-6-7-13-28(26)35-25-9-4-3-5-10-25)18-21-32(22-19-30)20-8-12-27(33)23-14-16-24(31)17-15-23;3-1(4)2(5)6/h3-7,9-11,13-17H,2,8,12,18-22H2,1H3;(H,3,4)(H,5,6)